SCHEMBL13985109

SCHEMBL13985109

Cc1nc2ccc(C(F)(F)F)cn2c1-c1csc(Nc2ccc(C(=O)NO)s2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
FLT4 P35916 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12847224 0.88 HDAC1 (0.42) MAPTKDM4EGAALMNAHTT
SCHEMBL3689603 0.85 HDAC6 (0.55) MAPTKDM4EGAALMNAHTT
SCHEMBL13984946 0.85 MCHR1 (0.34) HDAC6MCHR1GABRDGABRB1GABRA4
SCHEMBL701105 0.84 CDK2 (0.45) CDK2GSK3BSYK
SCHEMBL12791007 0.82 KDM4E (0.46) MAPTKDM4EGAALMNAHTT
SCHEMBL13985088 0.82 CDK2 (0.62) MAPTKDM4EGAALMNAHTT
SCHEMBL13985033 0.81 PRKD3 (0.42) MAPTKDM4EGAALMNAHTT
SCHEMBL12791301 0.81 PRKD3 (0.42) MAPTKDM4EGAALMNAHTT
SCHEMBL12790466 0.81 PRKD3 (0.51) MAPTKDM4EGAALMNAHTT
SCHEMBL3809864 0.80 CFTR (0.56) MAPTKDM4EGAALMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009002534-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2008-12-31 WO disclosed